S022-1531 Screening compound: 2-(4-methoxyphenyl)-7-[(5-methyl-2-thienyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1531 Screening compound: 2-(4-methoxyphenyl)-7-[(5-methyl-2-thienyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1531 Screening compound: 2-(4-methoxyphenyl)-7-[(5-methyl-2-thienyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1531
2-(4-methoxyphenyl)-7-[(5-methyl-2-thienyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S022-1531

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

2-(4-methoxyphenyl)-7-[(5-methyl-2-thienyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

IUPAC name

5-(4-methoxyphenyl)-11-(5-methylthiophene-2-carbonyl)-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cc1ccc(C(N(CC2)CC(C3=O)=C2N=C2N3NC(c(cc3)ccc3OC)=C2)=O)s1

InChI

InChI=1S/C22H20N4O3S/c1-13-3-8-19(30-13)22(28)25-10-9-17-16(12-25)21(27)26-20(23-17)11-18(24-26)14-4-6-15(29-2)7-5-14/h3-8,11,24H,9-10,12H2,1-2H3

InChI Key

ZGGQFQWRGYOQPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.41

Polar Surface Area

65.356

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

S022-1531 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S022-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1531?
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What is the minimum amount of S022-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1531
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S022-1531 available by request